1-ethyl-5-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-one

C15H18N2O2 — CID 164936124

IUPAC1-ethyl-5-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-one
SMILESCCn1cc(Cc2ccc(OC)cc2)c(C)nc1=O
InChIInChI=1S/C15H18N2O2/c1-4-17-10-13(11(2)16-15(17)18)9-12-5-7-14(19-3)8-6-12/h5-8,10H,4,9H2,1-3H3
InChIKeyVCXJJZSMKFDGHW-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.17
Rot. Bonds4

About 1-ethyl-5-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-one

1-ethyl-5-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-one (PubChem CID 164936124) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-ethyl-5-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-ethyl-5-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-one
PubChem CID164936124
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-ethyl-5-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-one
SMILESCCn1cc(Cc2ccc(OC)cc2)c(C)nc1=O
InChIInChI=1S/C15H18N2O2/c1-4-17-10-13(11(2)16-15(17)18)9-12-5-7-14(19-3)8-6-12/h5-8,10H,4,9H2,1-3H3
InChIKeyVCXJJZSMKFDGHW-UHFFFAOYSA-N
XLogP2.17
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-5-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-one?
The IUPAC name of 1-ethyl-5-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-one (CID 164936124) is 1-ethyl-5-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-one.
What is the SMILES notation for 1-ethyl-5-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-one?
The canonical SMILES for 1-ethyl-5-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-one is CCn1cc(Cc2ccc(OC)cc2)c(C)nc1=O.
What is the InChIKey of 1-ethyl-5-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-one?
The InChIKey is VCXJJZSMKFDGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-17-10-13(11(2)16-15(17)18)9-12-5-7-14(19-3)8-6-12/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 1-ethyl-5-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-one?
1-ethyl-5-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-one has a molecular weight of 258.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-one is sourced from PubChem (CID 164936124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).